SCHEMBL7082747

SCHEMBL7082747

CCOC(=O)C(=CNC1CCC1)C(=O)c1c(F)c(C)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 4/20 0.35
▸ TAS1R1 Q7RTX1 3/20 0.35
▸ TAS1R2 Q8TE23 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GLO1 Q04760 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7082742 1.00 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL7080211 0.98 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL7080209 0.98 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL7082739 0.97 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL7082744 0.97 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL7083137 0.96 MAPT (0.36) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL7083139 0.96 MAPT (0.36) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL7084593 0.93 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL7084595 0.93 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL7086633 0.91 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1132375-B1 AMINOACRYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME ASAHI GLASS CO LTD (JP) 2003-07-16 — — EP disclosed
US-6531624-B1 Intermediates of quinolone antibiotics;3-dimethylamino-2-(2,4,5-trifluoro-3-methyl-6 -nitrobenzoyl)acrylates ASAHI GLASS COMPANY LTD. (JP) 2003-03-11 — — US disclosed
EP-1132375-A1 AMINOACRYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME ASAHI GLASS COMPANY LTD. (JP) 2001-09-12 — — EP disclosed
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